1-[2-(ethylcarbamoyl)-4-pyridinyl]-3-methylpyrrolidine-3-carboxylic acid

C14H19N3O3 — CID 63146961

IUPAC1-[2-(ethylcarbamoyl)-4-pyridinyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCCNC(=O)c1cc(N2CCC(C)(C(=O)O)C2)ccn1
InChIInChI=1S/C14H19N3O3/c1-3-15-12(18)11-8-10(4-6-16-11)17-7-5-14(2,9-17)13(19)20/h4,6,8H,3,5,7,9H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyYXXXVDRHATXCTN-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.13
Rot. Bonds4

About 1-[2-(ethylcarbamoyl)-4-pyridinyl]-3-methylpyrrolidine-3-carboxylic acid

1-[2-(ethylcarbamoyl)-4-pyridinyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 63146961) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-[2-(ethylcarbamoyl)-4-pyridinyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(ethylcarbamoyl)-4-pyridinyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID63146961
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-[2-(ethylcarbamoyl)-4-pyridinyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCCNC(=O)c1cc(N2CCC(C)(C(=O)O)C2)ccn1
InChIInChI=1S/C14H19N3O3/c1-3-15-12(18)11-8-10(4-6-16-11)17-7-5-14(2,9-17)13(19)20/h4,6,8H,3,5,7,9H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyYXXXVDRHATXCTN-UHFFFAOYSA-N
XLogP1.13
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(ethylcarbamoyl)-4-pyridinyl]-4-methylpiperidine-4-carboxylic acid
CID 63124697
1-[2-(ethylcarbamoyl)-4-pyridinyl]pyrrolidine-3-carboxylic acid
CID 63032016
4-[2-(ethylcarbamoyl)-4-pyridinyl]thiomorpholine-3-carboxylic acid
CID 82901293
N-ethyl-4-(3-hydroxypiperidin-1-yl)pyridine-2-carboxamide
CID 60551992
4-[4-(azetidin-3-yl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide
CID 66201616
4-[4-[(R)-(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N-ethylpyridine-2-carboxamide
CID 97028948
1-(2-carbamoyl-4-pyridinyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63147504
N-ethyl-4-[4-[1-(methylamino)ethyl]piperidin-1-yl]pyridine-2-carboxamide
CID 63853012
3-ethyl-1-(2-methoxycarbonyl-4-pyridinyl)pyrrolidine-3-carboxylic acid
CID 66286395
4-[4-(1-cyanoethyl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide
CID 63343922
4-(4-amino-3-methylpiperidin-1-yl)-N-ethylpyridine-2-carboxamide
CID 79868126
1-[2-(ethylcarbamoyl)-4-pyridinyl]-2-methylpiperidine-4-carboxylic acid
CID 106742554

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylcarbamoyl)-4-pyridinyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(ethylcarbamoyl)-4-pyridinyl]-3-methylpyrrolidine-3-carboxylic acid (CID 63146961) is 1-[2-(ethylcarbamoyl)-4-pyridinyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(ethylcarbamoyl)-4-pyridinyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(ethylcarbamoyl)-4-pyridinyl]-3-methylpyrrolidine-3-carboxylic acid is CCNC(=O)c1cc(N2CCC(C)(C(=O)O)C2)ccn1.
What is the InChIKey of 1-[2-(ethylcarbamoyl)-4-pyridinyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is YXXXVDRHATXCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-3-15-12(18)11-8-10(4-6-16-11)17-7-5-14(2,9-17)13(19)20/h4,6,8H,3,5,7,9H2,1-2H3,(H,15,18)(H,19,20).
What are the key properties of 1-[2-(ethylcarbamoyl)-4-pyridinyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[2-(ethylcarbamoyl)-4-pyridinyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylcarbamoyl)-4-pyridinyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63146961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).